2-[1-[(4-imidazol-1-ylphenyl)methyl]piperidin-1-ium-4-yl]-1,3-benzothiazole

Systemtic Name: 2-[1-[(4-imidazol-1-ylphenyl)methyl]piperidin-1-ium-4-yl]-1,3-benzothiazole Openeye Name: 2-[1-[(4-imidazol-1-ylphenyl)methyl]piperidin-1-ium-4-yl]-1,3-benzothiazole CAS Name: 2-[1-[[4-(1-imidazolyl)phenyl]methyl]-4-piperidin-1-iumyl]-1,3-benzothiazole IUPAC Name: 2-[1-[(4-imidazol-1-ylphenyl)methyl]piperidin-1-ium-4-yl]-1,3-benzothiazole Traditional Name: 2-[1-(4-imidazol-1-ylbenzyl)piperidin-1-ium-4-yl]-1,3-benzothiazole Formula: C22H23N4S+ MolecularWeight: 375.50982

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC4=CC=C(C=C4)N5C=CN=C5

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC4=CC=C(C=C4)N5C=CN=C5

InChI

InChI=1S/C22H22N4S/c1-2-4-21-20(3-1)24-22(27-21)18-9-12-25(13-10-18)15-17-5-7-19(8-6-17)26-14-11-23-16-26/h1-8,11,14,16,18H,9-10,12-13,15H2/p+1